SCHEMBL7105166

SCHEMBL7105166

C=C(C)C(=O)NCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 9/20 0.41
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10278655 0.98 NPSR1 (0.52) NPSR1NPC1ALDH1A1HTTTDP1
SCHEMBL3183453 0.81 NPSR1 (0.47) NPSR1ALDH1A1HTTTDP1KDM4E
SCHEMBL15271453 0.81 NPSR1 (0.47) NPSR1ALDH1A1CA12CA1CA2
SCHEMBL6913902 0.81 NPC1 (0.66) NPSR1NPC1ALDH1A1TDP1CA12
SCHEMBL5423698 0.79 NPSR1 (0.78) NPSR1NPC1ALDH1A1HTTTDP1
SCHEMBL6451721 0.79 NPC1 (0.63) NPSR1NPC1ALDH1A1TDP1CA12
SCHEMBL9635906 0.79 NPC1 (0.54) NPC1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL718206 0.77 NPSR1 (0.82) NPSR1NPC1ALDH1A1HTTTDP1
SCHEMBL7620687 0.77 NPC1 (0.51) NPC1ALDH1A1KDM4EMAPTGAA
Acetic Acid SCHEMBL27274362 0.76 NPSR1 (0.72) NPSR1NPC1ALDH1A1HTTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0744457-B1 Lubricant additive ROEHM GMBH (DE) 2003-09-24 EP disclosed
EP-0718327-B1 Universal compatible pigment dispersants ROEHM GMBH (DE) 2000-06-21 EP disclosed
US-5652316-A METHYL METHACRYLATE-CYCLOALKYL (METH)ACRYLATE TERPOLYMER ROEHM GMBH CHEMISCHE FABRIK (DE) 1997-07-29 US disclosed
EP-0744457-A2 Lubricant additive RÖHM GMBH (DE) 1996-11-27 EP disclosed
EP-0718327-A2 Universal compatible pigment dispersants Röhm GmbH (DE) 1996-06-26 EP disclosed
EP-0699694-A2 Comb polymers RÖHM GMBH (DE) 1996-03-06 EP disclosed
EP-0591879-A1 Method for glueing amorphous plastics RÖHM GMBH (DE) 1994-04-13 EP disclosed